1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid

C10H13N3O2 — CID 112709125

IUPAC1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid
SMILESCc1ncc(N2CCCC2C(=O)O)cn1
InChIInChI=1S/C10H13N3O2/c1-7-11-5-8(6-12-7)13-4-2-3-9(13)10(14)15/h5-6,9H,2-4H2,1H3,(H,14,15)
InChIKeyKLLZQFNZVBOUBR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.84
Rot. Bonds2

About 1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid

1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid (PubChem CID 112709125) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid
PubChem CID112709125
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid
SMILESCc1ncc(N2CCCC2C(=O)O)cn1
InChIInChI=1S/C10H13N3O2/c1-7-11-5-8(6-12-7)13-4-2-3-9(13)10(14)15/h5-6,9H,2-4H2,1H3,(H,14,15)
InChIKeyKLLZQFNZVBOUBR-UHFFFAOYSA-N
XLogP0.84
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 131562941
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
(2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 90114938
1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 43517516
(2S)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964915
1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 43517695
1-(5,6-dimethylpyrazin-2-yl)azepane-2-carboxylic acid
CID 114474477
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid (CID 112709125) is 1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid is Cc1ncc(N2CCCC2C(=O)O)cn1.
What is the InChIKey of 1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is KLLZQFNZVBOUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-11-5-8(6-12-7)13-4-2-3-9(13)10(14)15/h5-6,9H,2-4H2,1H3,(H,14,15).
What are the key properties of 1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid?
1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112709125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).